Dataset
13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
InChI | InChI=1S/C37H34N6O2/c1-2-3-4-5-6-13-24-45-37-35(41-30-18-11-12-19-31(30)43-37)23-22-33-32(38-26-14-7-8-15-27(26)39-33)20-21-34-36(25-44)42-29-17-10-9-16-28(29)40-34/h7-12,14-23,25H,2-6,13,24H2,1H3/b21-20+,23-22+ |
---|---|
SMILES | CCCCCCCCOc1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1C=O |
InChI Key | UPHDJXCPMPCIDR-RLJRJAJVSA-N |
Molecular Formula | C37H34N6O2 |
Exact Mass | 594.705 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/UPHDJXCPMPCIDR-RLJRJAJVSA-N/CHMO0000595 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/UPHDJXCPMPCIDR-RLJRJAJVSA-N/CHMO0000595 |
Version | |
Author | Jérôme Klein |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T06:29:16.137141 |
MetadataModified | 2024-09-07T22:06:20.591509 |
MetadataPublished | 2022-04-17 |
Field | Value |
---|---|
Measurement Technique | 13C nuclear magnetic resonance spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
No additional information available for this Dataset. |